1-(carbamoylamino)-3-oxidourea

C2H5N4O3- — CID 141040084

IUPAC1-(carbamoylamino)-3-oxidourea
SMILESNC(=O)NNC(=O)N[O-]
InChIInChI=1S/C2H5N4O3/c3-1(7)4-5-2(8)6-9/h(H5-,3,4,5,6,7,8,9)/q-1
InChIKeyBJWOLIXXRGUAPV-UHFFFAOYSA-N
MW133.09 g/mol
LogP-1.63
Rot. Bonds

About 1-(carbamoylamino)-3-oxidourea

1-(carbamoylamino)-3-oxidourea (PubChem CID 141040084) has the molecular formula C2H5N4O3- and a molecular weight of 133.09 g/mol. Its IUPAC name is 1-(carbamoylamino)-3-oxidourea.

Molecular Properties

Compound Name1-(carbamoylamino)-3-oxidourea
PubChem CID141040084
Molecular FormulaC2H5N4O3-
Molecular Weight133.09 g/mol
Exact Mass133.04
IUPAC Name1-(carbamoylamino)-3-oxidourea
SMILESNC(=O)NNC(=O)N[O-]
InChIInChI=1S/C2H5N4O3/c3-1(7)4-5-2(8)6-9/h(H5-,3,4,5,6,7,8,9)/q-1
InChIKeyBJWOLIXXRGUAPV-UHFFFAOYSA-N
XLogP-1.63
TPSA119.31 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.09
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(carbamoylamino)-3-ethylurea
CID 55206816
lithium;bromourea;bromide
CID 175098948
1-(carbamoylamino)-3-(2-methylcyclobutyl)urea
CID 130659325
(2-methylpropanoylamino)urea
CID 60704517
[(4-fluorophenyl)sulfonylamino]urea
CID 140574528
sodium;1-bromo-3-carbamoylurea;hydride
CID 174408388
(2-carbamoylhydrazinyl) hydrogen carbonate
CID 87781235
[[(E)-2-hydroxyethenyl]amino]urea
CID 55291009
hydroxyurea;dihydrochloride
CID 175264488
CID 173237266
CID 173237266
propylaminourea
CID 55291175
[(5-bromo-4-methylthiophene-2-carbonyl)amino]urea
CID 79996515

Frequently Asked Questions

What is the IUPAC name of 1-(carbamoylamino)-3-oxidourea?
The IUPAC name of 1-(carbamoylamino)-3-oxidourea (CID 141040084) is 1-(carbamoylamino)-3-oxidourea.
What is the SMILES notation for 1-(carbamoylamino)-3-oxidourea?
The canonical SMILES for 1-(carbamoylamino)-3-oxidourea is NC(=O)NNC(=O)N[O-].
What is the InChIKey of 1-(carbamoylamino)-3-oxidourea?
The InChIKey is BJWOLIXXRGUAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N4O3/c3-1(7)4-5-2(8)6-9/h(H5-,3,4,5,6,7,8,9)/q-1.
What are the key properties of 1-(carbamoylamino)-3-oxidourea?
1-(carbamoylamino)-3-oxidourea has a molecular weight of 133.09 g/mol, XLogP of -1.63, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamoylamino)-3-oxidourea is sourced from PubChem (CID 141040084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).